(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol

• ChemBase ID: 281826
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12c([C@@H](N)CCC2)cccc1O
• Canonical SMILES: N[C@H]1CCCc2c1cccc2O
• InChI: InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m0/s1
• InChIKey: JGBIMURCUPHILK-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: (5S)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
• Synonyms: (5S)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol

Database IDs

• MDL Number: MFCD06761909
• PubChem SID: 180667357
• PubChem CID: 47003501

CALCULATED PROPERTIES

• Acid pKa: 9.930733
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1901687
• LogD (pH = 7.4): -0.15858844
• Log P: 1.2293422
• Molar Refractivity: 48.6941 cm^3
• Polarizability: 19.021818 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.4

Product Information

• Purity: 95%